2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid

C15H16N2O4S — CID 3590660

IUPAC2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid
SMILESCc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C15H16N2O4S/c1-11-6-12(2)8-13(7-11)17(10-15(18)19)22(20,21)14-4-3-5-16-9-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMJVLAWOYHOZTFK-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.98
Rot. Bonds5

About 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid

2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid (PubChem CID 3590660) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid
PubChem CID3590660
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid
SMILESCc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C15H16N2O4S/c1-11-6-12(2)8-13(7-11)17(10-15(18)19)22(20,21)14-4-3-5-16-9-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMJVLAWOYHOZTFK-UHFFFAOYSA-N
XLogP1.98
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]anilino]acetic acid
CID 67620524
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetamide
CID 126137622
3-(N-(4-chlorophenyl)sulfonyl-3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 4783728
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 99942452
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51343851
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide
CID 92679532
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide
CID 51345227
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetic acid
CID 4110629

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid (CID 3590660) is 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid is Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2cccnc2)c1.
What is the InChIKey of 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid?
The InChIKey is MJVLAWOYHOZTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-11-6-12(2)8-13(7-11)17(10-15(18)19)22(20,21)14-4-3-5-16-9-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid?
2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid has a molecular weight of 320.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid is sourced from PubChem (CID 3590660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).